Molecule

ID:53778

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₄
Molecular Mass
135.11856
Exact Mass
135.05315777
Charge
0
InChI
InChI=1S/C4H9NO4/c6-3-1-2-4-9-5(7)8/h6H,1-4H2
InChIKey
FBOGSWRRYABFKU-UHFFFAOYSA-N
Canonic Smiles
OCCCCO[N+](=O)[O-]
Isomeric Smiles
[N+](=O)([O-])OCCCCO
Calculated Properties
JChem
Acid pKa
15.970604
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2935949
LogD (pH = 7.4)
0.2935949
Log P
0.2935949
Molar Refractivity
30.7576
Polarizability
11.5232
Polar Surface Area
75.28
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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